Structure Information
Structure

Compound Identification

SMILES

C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O.CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1

InChIKey

InChIKey=HQCRDPWVBOKYAA-YDLGIYAPSA-N

Formula

C49H78O4

Mass

731.159

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Quinone and hydroquinone lipids

Intermediate Tree Nodes

Vitamin E compounds

Direct Parent

Tocopherols

Alternative Parents

Molecular Framework

Not available

Substituents

Tocopherol - Retinoic acid - Diterpenoid - Retinoid skeleton - Chromane - Benzopyran - 1-benzopyran - Medium-chain fatty acid - Alkyl aryl ether - Branched fatty acid - Methyl-branched fatty acid - Phenol - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocotrienols that contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain.

External Descriptors

Not available

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